BMRB Entry 51896

Name: Structure of a new ShKT peptide from the sea anemone Telmatactis stephensoni: ShKT-Ts1.
Published: 2023-10-09

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PDB ID: 8sed
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51896
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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Structure of a new ShKT peptide from the sea anemone Telmatactis stephensoni: ShKT-Ts1. PubMed: 37794633

Deposition date: 2023-04-02 Original release date: 2023-10-09

Authors: Sanches, Karoline; Olushola-Siedoks, Abisola; Wai, Dorothy; Norton, Raymond

Citation: Sanches, Karoline; Ashwood, Lauren; Olushola-Siedoks, Abisola Ave-Maria; Wai, Dorothy; Rahman, Arfatur; Shakeel, Kashmala; Naseem, Muhammad Umair; Panyi, Gyorgy; Prentis, Peter; Norton, Raymond. "Structure-function relationships in ShKT domain peptides: ShKT-Ts1 from the sea anemone Telmatactis stephensoni" Proteins 92, 192-205 (2024).

Assembly members:
entity_1, polymer, 37 residues, Formula weight is not available

Natural source: Common Name: Telmatactis stephensoni Taxonomy ID: 2835637 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Telmatactis stephensoni

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET32a(+)

Entity Sequences (FASTA):
entity_1: GACENNFSDRECERRKKDCD SSMKFRELSCPKTCGTC

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	110
15N chemical shifts	41
1H chemical shifts	232

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	ShKT_Ts1	1

Entities:

Entity 1, ShKT_Ts1 37 residues - Formula weight is not available

1

GLY

ALA

CYS

GLU

ASN

PHE

SER

ASP

ARG

2

GLU

CYS

GLU

ARG

LYS

ASP

CYS

ASP

3

SER

MET

LYS

PHE

ARG

GLU

LEU

SER

CYS

4

PRO

LYS

THR

CYS

GLY

THR

CYS

Samples:

sample_1: ShKT_Ts1, [U-99% 15N], 307 uM

sample_2: ShKT_Ts1 307 uM

sample_conditions_1: ionic strength: 0 M; pH: 5; pressure: 1 atm; temperature: 298 K

sample_conditions_2: ionic strength: 0 M; pH: 5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-15N TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_2	isotropic	sample_conditions_2
2D 1H-1H NOESY	sample_2	isotropic	sample_conditions_2
2D 1H-13C HSQC/HMQC	sample_2	isotropic	sample_conditions_2

Software:

ARIA2 v2.3 - structure solution

TOPSPIN v3.2 - collection

CcpNMR v2.4.2 - chemical shift assignment

NMRPipe - processing

NMR spectrometers:

Bruker AVANCE III 600 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts